[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

C20H23NO4S — CID 24793132

IUPAC[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(SC)cc3)C2)o1
InChIInChI=1S/C20H23NO4S/c1-24-13-16-7-10-18(25-16)20(23)21-11-3-4-15(12-21)19(22)14-5-8-17(26-2)9-6-14/h5-10,15H,3-4,11-13H2,1-2H3
InChIKeyXSKFSGAZUJRLMN-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.88
Rot. Bonds6

About [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 24793132) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID24793132
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(SC)cc3)C2)o1
InChIInChI=1S/C20H23NO4S/c1-24-13-16-7-10-18(25-16)20(23)21-11-3-4-15(12-21)19(22)14-5-8-17(26-2)9-6-14/h5-10,15H,3-4,11-13H2,1-2H3
InChIKeyXSKFSGAZUJRLMN-UHFFFAOYSA-N
XLogP3.88
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42567720
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45248371
(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
CID 45219229
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 26333907
ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(methoxymethyl)furan-2-yl]methanone
CID 119635590
N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45190370

Frequently Asked Questions

What is the IUPAC name of [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (CID 24793132) is [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is COCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(SC)cc3)C2)o1.
What is the InChIKey of [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is XSKFSGAZUJRLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-24-13-16-7-10-18(25-16)20(23)21-11-3-4-15(12-21)19(22)14-5-8-17(26-2)9-6-14/h5-10,15H,3-4,11-13H2,1-2H3.
What are the key properties of [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 373.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 24793132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).